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Ligand

NameCHEMBL114774
Molecular formulaC41H54N6O7
IUPAC name4-[[(2S)-2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]-6-[(2-methylphenyl)carbamoylamino]hexyl]amino]-4-oxobutanoic acid
Molecular weight742.918
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP4.9
SynonymsBDBM50422042
Inchi KeyDILLUBXISCIMIT-YRZYFPLTSA-N
Inchi IDInChI=1S/C41H54N6O7/c1-25-9-3-5-12-33(25)46-39(52)42-16-8-7-10-31(24-44-35(48)14-15-36(49)50)45-38(51)41(2,22-30-23-43-34-13-6-4-11-32(30)34)47-40(53)54-37-28-18-26-17-27(20-28)21-29(37)19-26/h3-6,9,11-13,23,26-29,31,37,43H,7-8,10,14-22,24H2,1-2H3,(H,44,48)(H,45,51)(H,47,53)(H,49,50)(H2,42,46,52)/t26?,27?,28?,29?,31-,37?,41-/m0/s1
PubChem CID10350069
ChEMBLCHEMBL114774
IUPHARN/A
BindingDB50422042
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
60856Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
60857Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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